3-[(2-ethylphenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(2-ethylphenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[(2-ethylphenyl)methylsulfanyl]-4-(2-furylmethyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[(2-ethylphenyl)methylthio]-4-(2-furanylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2-ethylphenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-ethylbenzyl)thio]-4-(2-furfuryl)-1H-1,2,4-triazol-5-one Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1CSC2=NNC(=O)N2CC3=CC=CO3

Isomeric SMILES

CCC1=CC=CC=C1CSC2=NNC(=O)N2CC3=CC=CO3

InChI

InChI=1S/C16H17N3O2S/c1-2-12-6-3-4-7-13(12)11-22-16-18-17-15(20)19(16)10-14-8-5-9-21-14/h3-9H,2,10-11H2,1H3,(H,17,20)